Related papers: Structural distortions in monolayers of binary sem…
We investigated the valence electronic structure of diamondoid particles in the gas phase, utilizing valence photoelectron spectroscopy. The samples were singly or doubly covalently bonded dimers or trimers of the lower diamondoids. Both…
Using density functional theory, we explore the possibility of two monolayer monochalcogenides, namely, MoS and WS (buckled and puckered). Our results on cohesive energy and phonon dispersion predict that the buckled structures of both MoS…
Strain engineering can modulate the material properties of two-dimensional (2D) semiconductors for electronic and optoelectronic applications. Recent theory and experiments have found that uniaxial tensile strain can improve the electron…
Research on two-dimensional van der Waals materials has demonstrated that the layer degree of freedom can significantly alter the physical properties of materials due to the substantial modification of bulk bands. Inspired by this concept,…
Ferroelectric domain structures, separated by domain walls, often display unconventional physics and hold significant potential for applications in nano-devices. Most naturally growth domain walls are charge-neutral to avoid increased…
Quasiparticles in semiconductors -- such as microcavity polaritons -- can form condensates in which the steady-state density profile is set by the balance of pumping and decay. By taking account of the polarization degree of freedom for a…
Understanding the mechanisms that drive spontaneous rotational symmetry breaking in correlated electron systems is a central challenge in condensed matter physics. Although such symmetry breaking phases have been studied in low-dimensional…
This work presents a theoretical study of the structural and electronic properties of bilayered silicon films under in-plane biaxial strain/stress using density functional theory. Atomic structures of the two-dimensional silicon films are…
Tunneling and Coulomb drag are sensitive probes of spontaneous interlayer phase coherence in bilayer two-dimensional electron systems at total Landau level filling factor $\nu_T = 1$. We find that the phase boundary between the interlayer…
In this paper, the electrical and spin properties of mono- and bilayer HfSSe in the presence of a vertical electric field are studied. The density functional theory is used to investigate their properties. Fifteen different stacking orders…
Based on first-principles calculations, we explored the interplay between stacking effect and electron-electron correlation in the layered vdW material of bulk 1T-NbS2 with a 2D charge density wave (CDW) order. Without considering the…
Hybrid structures of semiconducting (SM) nanowires, epitaxially grown superconductors (SC), and ferromagnetic-insulator (FI) layers have been explored experimentally and theoretically as alternative platforms for topological…
We calculated the effects of structural distortions on the electronic structure of carbon nanotubes. The key modification of the electronic structure brought about by bending a nanotube involves an increased mixing of $\sigma$ and…
Core-satellite structures are known to exhibit magnetic modes at optical frequencies and their characterization is important for the development of metamaterials and metafluids. We develop a finite-difference time-domain electrodynamics…
We predict from DFT based electronic structure calculations that a monolayer made up of Carbon and Arsenic atoms, with a chemical composition (CAs3) forms an energetically and dynamically stable system. The optimized geometry of the…
Thinning crystalline materials to two dimensions (2D) creates a rich playground for electronic phases, including charge, spin, superconducting, and topological order. Bulk materials hosting charge density waves (CDWs), when reduced to…
Introduction of controllable deformations into periodic materials that lead to disclinations in their structure opens novel routes for construction of higher-order topological insulators hosting topological states at disclinations.…
This work is an analytic theoretical study of a 2D semiconductor with a Fermi surface that is split by the Zeeman coupling of electron spins to an external magnetic field in the presence of electron-electron interactions. For the first…
Van der Waals (vdW) layered materials have rather weaker interlayer bonding than the intra-layer bonding, therefore the exfoliation along the stacking direction enables the achievement of monolayer or few layers vdW materials with emerging…
We report on first-principles calculations of multilayers of zinc-blende half-metallic ferromagnets CrAs and CrSb with III-V and II-VI semiconductors, in the [001] orientation. We examine the ideal and tetragonalised structures, as well as…